3-Furanmethanol
Basic information
- CAS
4412-91-3- Standard SMILES
OCc1ccoc1- InChIKey
STJIISDMSMJQQK-UHFFFAOYSA-N- Molecular formula
- C5H6O2
- Average molar mass
- 98.1 g/mol
- Monoisotopic mass
- 98.03677943
Names & identifiers
- Preferred name
- 3-Furanmethanol
- IUPAC
- furan-3-ylmethanol
- English name
- 3-Furanmethanol
- Molecular formula
- C5H6O2
- Molecular weight
- 98.1
Names & synonyms
3-FURANMETHANOL4412-91-3Furan-3-methanol3-Furylmethanol3-(Hydroxymethyl)furan3-Furfuryl alcohol3-Furancarbinol3-Furylcarbinolfurano-3-metanolfuranne-3-methanol6E4MK4DV6CEINECS 224-570-7
Show more names
3-Furanemethanol3-FURYL ALCOHOL
DTXSID70196045RefChem:502114DTXCID80118536224-570-7InChI=1/C5H6O2/c6-3-5-1-2-7-4-5/h1-2,4,6H,3Hfuran-3-ylmethanol3-HYDROXYMETHYLFURANFuran-3-yl-methanol
Database identifiers
- CAS
4412-91-3- PubChem CID
- 20449
- DTXSID
DTXSID70196045- ChEMBL
CHEMBL440914- UNII
- 6E4MK4DV6C
- EC Number
- 224-570-7
- Nikkaji
- J205.791C
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 33.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 54
Experimental & physicochemical properties
SpringerMaterials PropertiesMolecular structure
LogP0.3
Physicochemical properties
- Boiling point
- 79 · 79-80 °C17 mm Hg(lit.)
- Density
- 1.139 g/mL · 1.139 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.484(lit.)
- Flash point
- 101 °F · 101 °F
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 14.49 · 14.49±0.10(Predicted)
- form
- Liquid
- color
- Clear colorless to slightly yellow
- BRN
- 106456 · 106456
- InChI
- InChI=1S/C5H6O2/c6-3-5-1-2-7-4-5/h1-2,4,6H,3H2
- InChIKey
- STJIISDMSMJQQK-UHFFFAOYSA-N
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1987 3/PG 3
- hs_code
- 29321900
- risk_code
- 10-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi,F
- safety_code
- 16-26-36/37/39-36/37
- hazard_class
- 3.2
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H226-H315-H319-H335
Chemistry & industry
Applications
Uses3-Furanmethanol can be used in methods to support gastrointestinal homeostasis.
General DescriptionFuran-3-methanol on oxidation with pyridinium chlorochromate yields furan-3-carboxaldehyde.
Upstream & downstream products
Upstream raw materials
Related reactions
40 records
Compound notes
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